N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-3-yl]methyl]thian-4-amine

Systemtic Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-3-yl]methyl]thian-4-amine Openeye Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridyl]methyl]tetrahydrothiopyran-4-amine CAS Name: N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridinyl]methyl]-4-thianamine IUPAC Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-3-yl]methyl]thian-4-amine Traditional Name: [2-[4-(2-methoxyphenyl)piperazino]-3-pyridyl]methyl-tetrahydrothiopyran-4-yl-amine Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=N3)CNC4CCSCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=N3)CNC4CCSCC4

InChI

InChI=1S/C22H30N4OS/c1-27-21-7-3-2-6-20(21)25-11-13-26(14-12-25)22-18(5-4-10-23-22)17-24-19-8-15-28-16-9-19/h2-7,10,19,24H,8-9,11-17H2,1H3